Contemporary materials science research is heavily conducted in silico, involving massive simulations of the atomic-scale evolution of materials. Cataloging basic patterns in the atomic displacements is key to understanding and predicting the evolution of physical properties. However, the combinatorial complexity of the space of possible transitions coupled with the overwhelming amount of data being produced by high-throughput simulations make such an analysis extremely challenging and time-consuming for domain experts. The development of visual analytics systems that facilitate the exploration of simulation data is an active field of research. While these systems excel in identifying temporal regions of interest, they treat each timestep of a simulation as an independent event without considering the behavior of the atomic displacements between timesteps. We address this gap by introducing LAMDA, a visual analytics system that allows domain experts to quickly and systematically explore state-to-state transitions. In LAMDA, transitions are hierarchically categorized, providing a basis for cataloging displacement behavior, as well as enabling the analysis of simulations at different resolutions, ranging from very broad qualitative classes of transitions to very narrow definitions of unit processes. LAMDA supports navigating the hierarchy of transitions, enabling scientists to visualize the commonalities between different transitions in each class in terms of invariant features characterizing local atomic environments, and LAMDA simplifies the analysis by capturing user inputs through annotations. We evaluate our system through a case study and report on findings from our domain experts.

Fiber surfaces and fiber lines, being the preimages of a bivariate function to a so-called control polygon in the function’s range, are the adaptation of isosurfaces and isolines to bivariate scalar fields. Previous works have proposed use cases for fiber surface and fiber line extraction using algorithmically generated control polygons with many line segments, but their authors have either not presented results or noted that the computation becomes prohibitive slow. We present an algorithm that speeds up fiber surface extraction by using dual bounding volume hierarchy (BVH) traversal, as well as a variation that combines the benefits of single and dual BVH traversal. We study the influence of the number of line segments in the control polygon on the performance of single and dual BVH traversal algorithms using data sets from various application domains and types of control polygons. We find that dual BVH traversal is several times faster in test cases where single BVH traversal is slow, facilitating the interactive exploration of fiber surfaces in many cases where existing methods are too slow.

Electroactive polymers are frequently used in engineering applications due to their ability to change their shape and properties under the influence of an electric field. This process also works vice versa, such that mechanical deformation of the material induces an electric field in the EAP device. This specific behavior makes such materials highly attractive for the construction of actuators and sensors in various application areas. The electromechanical behaviour of electroactive polymers can be described by a third-order coupling tensor, which represents the sensitivity of mechanical stresses concerning the electric field, i.e., it establishes a relation between a second-order and a first-order tensor field. Due to this coupling tensor's complexity and the lack of meaningful visualization methods for third-order tensors in general, an interpretation of the tensor is rather difficult. Thus, the central engineering research question that this contribution deals with is a deeper understanding of electromechanical coupling by analyzing the third-order coupling tensor with the help of specific visualization methods. Starting with a deviatoric decomposition of the tensor, the multipoles of each deviator are visualized, which allows a first insight into this highly complex third-order tensor. In the present contribution, four examples, including electromechanical coupling, are simulated within a finite element framework and subsequently analyzed using the tensor visualization method.

Splat and antisplat events are a widely found phenomenon in three-dimensional turbulent flow fields. Splats are observed when fluid locally impinges on an impermeable surface transferring energy from the normal component to the tangential velocity components, while antisplats relate to the inverted situation. These events affect a variety of flow properties, such as the transfer of kinetic energy between velocity components and the transfer of heat, so that their investigation can provide new insight into these issues. Here, we propose the first Lagrangian method for the detection of splats and antisplats as features of an unsteady flow field. Our method utilizes the concept of strain tensors on flow-embedded flat surfaces to extract disjoint regions in which splat and antisplat events of arbitrary scale occur. We validate the method with artificial flow fields of increasing complexity. Subsequently, the method is used to analyze application data stemming from a direct numerical simulation of the turbulent flow over a backward facing step. Our results show that splat and antisplat events can be identified efficiently and reliably even in such a complex situation, demonstrating that the new method constitutes a well-suited tool for the analysis of turbulent flows.

Turbines are essential components of jet planes and power plants. Therefore, their efficiency and service life are of central engineering interest. In the case of jet planes or thermal power plants, the heating of the turbines due to the hot gas flow is critical. Besides effective cooling, it is a major goal of engineers to minimize heat transfer between gas flow and turbine by design. Since it is known that splat events have a substantial impact on the heat transfer between flow and immersed surfaces, we adapt a splat detection and visualization method to a turbine cascade simulation in this case study. Because splat events are small phenomena, we use a direct numerical simulation resolving the turbulence in the flow as the base of our analysis. The outcome shows promising insights into splat formation and its relation to vortex structures. This may lead to better turbine design in the future.